Products for Research Use Only
RegisterLogin

CAY10561

CAT: 0931-T36672-01Size: 500 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T36672-01Size:500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
933786-58-4
Target
ERK, Others
Related Pathways
Others, MAPK
Bioactivity
The extracellular signal-regulated kinase (ERK) signal transduction pathway regulates a diverse array of cellular processes. These processes include cell survival, proliferation, motility, and differentiation and are constitutively activated in cancers involving lung, colon, pancreas, kidney, and ovary. CAY10561 is a potent, ATP-competitive inhibitor of ERK2 (Ki = 2 nM) . This compound is highly selective for ERK2 compared to other kinases such as PKA (Ki = 0.39 μM) and JNK3 (Ki = 4 μM) . CAY10561 inhibits proliferation of COLO 205 cells with an IC50 value of 0.54 μM.
Smiles
C(NC(CO)C1=CC(Cl)=C(F)C=C1)(=O)C2=CC(C=3C(=CNN3)C4=CC(Cl)=CC=C4)=CN2
Molecular Formula
C22H17Cl2FN4O2
Molecular Weight
459.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

structure in first source

CAS Number933786-58-4
PubChem CID135523966
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
Molecular FormulaC22H17Cl2FN4O2
Molecular Weight459.3
XLogP4.1
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity618
SMILES
C1=CC(=CC(=C1)Cl)C2=C(NN=C2)C3=CNC(=C3)C(=O)NC(CO)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)
InChIKey
YMUYGRBBEDYUOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CAS: 933786-58-4
CID: 135523966
Formula: C22H17Cl2FN4O2
MW: 459.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.3
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass458.0712593
Monoisotopic Mass458.0712593
Topological Polar Surface Area93.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T37670-01CAY10568
T35988CAY10564
T35989-01CAY10565
T73351-01CAY10581
T37832-01CAY10761
T35987-01CAY10563
T36086-01CAY10567
T35812-01CAY10591
T14878-01CAY10566
T37829-01CAY10573

Alternative Products

CatalogName
MBS5797761CAY10561

Popular Products